General Information of the Compound
| Compound ID |
CP0531318
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| Compound Name |
CHEMBL4747256
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| Formula |
C27H32FN7O3
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| Molecular Weight |
521.597
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| Canonical SMILES |
CN1CCNC(=O)COc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(cc1n3n2)[C@@H]1C[C@H](N)C1
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| InChI |
InChI=1S/C27H32FN7O3/c1-33-9-7-30-25(36)15-38-23-6-5-17(28)12-19(23)27(37)34-8-3-2-4-22(34)21-13-24-31-20(16-10-18(29)11-16)14-26(33)35(24)32-21/h5-6,12-14,16,18,22H,2-4,7-11,15,29H2,1H3,(H,30,36)/t16-,18+,22-/m0/s1
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| InChIKey |
XTQFQCDOONDMIK-CECAUBDESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound